SCHEMBL5617115

SCHEMBL5617115

COCCNC1=NC(=O)C(=Cc2ccc(OCc3ccc(C(F)(F)F)cc3C(F)(F)F)cc2OC)S1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 9/20 0.42
FOXM1 Q08050 1/20 0.42
PTPN1 P18031 6/20 0.40
ALOX5 P09917 1/20 0.39
SRD5A1 P18405 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5613835 0.93 FOXM1 (0.41) ESRRAFOXM1PTPN1ALOX5SRD5A1
SCHEMBL5616931 0.93 FOXM1 (0.43) ESRRAFOXM1PTPN1ALOX5SRD5A1
SCHEMBL5613962 0.91 FOXM1 (0.41) ESRRAFOXM1PTPN1ALOX5SRD5A1
SCHEMBL5616853 0.90 FOXM1 (0.45) ESRRAFOXM1PTPN1ALOX5SRD5A1
SCHEMBL5614007 0.89 PTPN1 (0.45) ESRRAFOXM1PTPN1ALOX5
SCHEMBL5613843 0.88 PTPN1 (0.43) ESRRAFOXM1PTPN1ALOX5SRD5A1
SCHEMBL5613817 0.87 PTPN1 (0.44) ESRRAFOXM1PTPN1ALOX5SRD5A1
SCHEMBL5614020 0.86 PTPN1 (0.41) ESRRAFOXM1PTPN1ALOX5SRD5A1
SCHEMBL4152564 0.86 ESRRA (0.54) ESRRAFOXM1HPGDMEN1NPC1
SCHEMBL2197524 0.86 ESRRA (0.54) ESRRAFOXM1HPGDMEN1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805154-A2 PHARMACEUTICAL COMPOSITIONS Exelixis, Inc. (US) 2007-07-11 EP disclosed
WO-2006047269-A2 PHARMACEUTICAL COMPOSITIONS EXELIXIS, INC. (US) 2006-05-04 WO disclosed